Collaborative Research: Design and Discovery of Entropy-Stabilized Perovskite Halide Materials for Optoelectronics
合作研究:用于光电子学的熵稳定钙钛矿卤化物材料的设计和发现
基本信息
- 批准号:2330738
- 负责人:
- 金额:$ 17.5万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2023
- 资助国家:美国
- 起止时间:2023-07-15 至 2025-07-31
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
PART 1: NON-TECHNICAL SUMMARYPerovskite halides are an exciting family of materials that can be prepared by low-temperature synthesis methods and are promising for a wide variety of optoelectronic applications. With this project, which is jointly funded by the Solid State and Materials Chemistry program and the Electronic and Photonic Materials program, both in the Division of Materials Research, a collaborative research team from the University of Maine and the University of Alabama develops, synthesizes, and investigates a new class of perovskite halides for optoelectronics. In this combined theoretical and experimental investigation, the team also evaluates the materials’ stability under ambient environmental conditions. Unlike traditional halides with two to three metal elements, these newly developed perovskite halides consist of five or more principal metal elements in nearly equal concentrations. The workplan features a closed feedback loop between theory and experiment and focuses on materials advancement by performing theoretical predictions, developing synthesis methods, characterizing optoelectronic properties, and evaluating stability under exposure to gases, light, and heat. New perovskite halide materials discovered from this project could lead to a wide variety of optoelectronic applications including solar cells, light-emitting devices, photodetectors and lasers, photoelectrochemical catalysts, radiation detectors, and sensors. This research allows project participants from interdisciplinary programs at these two universities to interact and contribute to technology development within Maine and Alabama. Three Ph.D. graduate students and six undergraduates are trained to acquire skills and competency in the three foundational pillars of computation, experiments, and data analysis which are key attributes for the next-generation workforce. STEM outreach and education activities disseminated to K-12 students, high-school teachers, and the general public within Maine and Alabama are aimed at conveying how collaborative energy-materials design-driven research is relevant to addressing societal challenges. PART 2: TECHNICAL SUMMARYThis project, which is jointly funded by the Solid State and Materials Chemistry program and the Electronic and Photonic Materials program, both in the Division of Materials Research, aims to computationally design and experimentally realize a new class of lead-free perovskite halide materials with enhanced thermodynamic and environmental stability along with desired optoelectronic properties. Entropy-stabilized perovskite halides (ESPHs) containing five or more principal metal elements are investigated for enhanced optoelectronic properties and stable environmental performance. The key hypothesis is that the configurational entropy of mixing plays a dominant role in stabilizing a single-phase crystalline ESPH structure. The validation of this hypothesis not only provides a new experimentally controllable pathway to design more stable perovskite halide materials but also yields unique composition-structure-property relationships that are absent when chemical order prevails. Specific objectives are to (i) predict the combinations of metal elements that can give rise to stable ESPHs using high-throughput first-principles calculations, (ii) synthesize the predicted ESPHs using the solid-state solution, hydrothermal, and solvent precipitation methods, (iii) characterize the compositional, structural and optoelectronic properties of the synthesized ESPHs, and (iv) evaluate and analyze the stabilities of experimentally synthesized ESPHs under various laboratory environments including humidity, oxidizing/reducing gases, and heat. New ESPHs from this project are poised to substantially expand the chemical space of perovskite halides, providing more capabilities to tune and tailor materials properties of interest (such as lattice parameter, bandgap, optical absorption strength, and conductivity) and render high potential for a wide variety of optoelectronic applications including solar cells, light-emitting devices, photoelectrochemical catalysts, photodetectors and lasers, radiation detectors, and sensors.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
第 1 部分:非技术摘要钙钛矿卤化物是一类令人兴奋的材料,可以通过低温合成方法制备,并且通过该项目由固体化学和材料化学联合资助,有望用于各种光电应用。项目和电子和光子材料项目,都属于材料研究部,来自缅因大学和阿拉巴马大学的合作研究小组开发、合成和研究了一种用于光电子学的新型钙钛矿卤化物 在这项结合理论和实验的研究中,该团队还评估了材料在周围环境条件下的稳定性,与含有两到三种金属元素的传统卤化物不同,这些新开发的钙钛矿卤化物由五种或更多主要元素组成。该工作计划以理论和实验之间的闭环反馈为特色,并通过执行理论预测、开发合成方法、表征光电特性以及评估暴露条件下的稳定性来重点关注材料的进步。该项目发现的新型钙钛矿卤化物材料可能会带来广泛的光电应用,包括太阳能电池、发光器件、光电探测器和激光器、光电化学催化剂、辐射探测器和传感器。来自这两所大学的跨学科项目的参与者在缅因州和阿拉巴马州进行互动并为技术发展做出贡献。三名博士研究生和六名本科生接受了培训,以获取三个基本支柱的技能和能力。计算、实验和数据分析是向 K-12 学生、高中教师以及缅因州和阿拉巴马州公众传播的下一代 STEM 推广和教育活动的关键属性,旨在传达协作能量。 -材料设计驱动的研究与解决社会挑战相关。第 2 部分:技术摘要该项目由固态和材料化学项目以及电子和光子材料项目联合资助,均属于该部门。材料研究旨在通过计算设计和实验实现一类新型无铅钙钛矿卤化物材料,该材料具有增强的热力学和环境稳定性以及所需的光电特性,并研究了含有五种或更多主要金属元素的熵稳定钙钛矿卤化物(ESPH)。增强的光电性能和稳定的环境性能的关键假设是混合的构型熵在稳定单相晶体 ESPH 结构中起着主导作用。这一假设的验证不仅提供了一种新的实验可控途径来设计更稳定的钙钛矿卤化物材料,而且还产生了化学顺序占主导地位时所不存在的独特的成分-结构-性能关系,具体目标是(i)预测金属元素的组合。使用高通量第一原理计算可以产生稳定的 ESPH,(ii) 使用固态溶液、水热和溶剂沉淀方法合成预测的 ESPH,(iii) 表征合成的 ESPH 的成分、结构和光电特性,以及(iv)评估和分析实验合成的 ESPH 在各种实验室环境(包括湿度、氧化/还原气体和热量)下的稳定性。钙钛矿卤化物的化学空间,提供更多的能力来调整和定制感兴趣的材料特性(例如晶格参数、带隙、光吸收强度和电导率)并为各种光电应用带来巨大潜力,包括太阳能电池、发光器件、光电化学催化剂、光电探测器和激光器、辐射探测器和传感器。该奖项反映了 NSF 的法定使命,并通过使用基金会的智力价值和更广泛的影响审查标准。
项目成果
期刊论文数量(1)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Electrospun single-phase spinel magnetic high entropy oxide nanoparticles via low-temperature ambient annealing
通过低温环境退火电纺单相尖晶石磁性高熵氧化物纳米颗粒
- DOI:10.1039/d3na00090g
- 发表时间:2023-05
- 期刊:
- 影响因子:4.7
- 作者:Han, Xiao;Li, Dian;Zhou, Jingyi;Zheng, Yufeng;Kong, Lingyan;Li, Lin;Yan, Feng
- 通讯作者:Yan, Feng
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Feng Yan其他文献
Multi-round Double Auction Based Resource Allocation for Network Slicing in Smart Grids
智能电网中基于多轮双拍卖的网络切片资源分配
- DOI:
10.1109/wcsp58612.2023.10404205 - 发表时间:
2023-11-02 - 期刊:
- 影响因子:0
- 作者:
Yifei Xin;Weiwei Xia;Jun Wu;Xia Chen;Feng Yan;Lianfeng Shen - 通讯作者:
Lianfeng Shen
Immunological characteristics of outer membrane protein omp31 of goat Brucella and its monoclonal antibody.
山羊布鲁氏菌外膜蛋白omp31及其单克隆抗体的免疫学特性
- DOI:
10.4238/2015.october.5.10 - 发表时间:
2015-10-05 - 期刊:
- 影响因子:0
- 作者:
W. Zheng;Yi Wang;Z. Zhang;Feng Yan - 通讯作者:
Feng Yan
Role of MiR-205/PTEN in cisplatin-resistant esophageal squamous cell carcinoma
MiR-205/PTEN在顺铂耐药的食管鳞癌中的作用
- DOI:
10.4314/tjpr.v17i12.5 - 发表时间:
2019-03-14 - 期刊:
- 影响因子:0.6
- 作者:
Xun Tang;Xuelian Mao;Feng Yan - 通讯作者:
Feng Yan
Polymorphisms of dihydropyrimidine dehydrogenase gene and clinical outcomes of gastric cancer patients treated with fluorouracil-based adjuvant chemotherapy in Chinese population.
中国人群二氢嘧啶脱氢酶基因多态性与氟尿嘧啶辅助化疗胃癌患者临床结局
- DOI:
- 发表时间:
2012-03-01 - 期刊:
- 影响因子:6.1
- 作者:
Xiao;Zhi;Bao‐an Chen;Jifeng Feng;Feng Yan;Zhi;Y. Zhong;Jian‐zhong Wu;Lu Chen;Zu;N. Tong;Zhengdong Zhang;P. Xu;Miao;Wen;Shuai Wang - 通讯作者:
Shuai Wang
Experimental research on quantitative inversion models of suspended sediment concentration using remote sensing technology
利用遥感技术定量反演悬浮泥沙浓度模型的实验研究
- DOI:
10.1007/s11769-007-0243-2 - 发表时间:
2024-09-14 - 期刊:
- 影响因子:3.4
- 作者:
Yanjiao Wang;Feng Yan;Peiqun Zhang;W. Dong - 通讯作者:
W. Dong
Feng Yan的其他文献
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{{ truncateString('Feng Yan', 18)}}的其他基金
CAREER: Photovoltaic Devices with Earth-Abundant Low Dimensional Chalcogenides
职业:具有地球丰富的低维硫属化物的光伏器件
- 批准号:
2413632 - 财政年份:2024
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
Collaborative Research: Photomechanical Behavior in Photovoltaic Semiconductors
合作研究:光伏半导体中的光机械行为
- 批准号:
2330728 - 财政年份:2023
- 资助金额:
$ 17.5万 - 项目类别:
Standard Grant
PFI-TT: Highly Efficient, Scalable, and Stable Carbon-based Perovskite Solar Modules
PFI-TT:高效、可扩展且稳定的碳基钙钛矿太阳能模块
- 批准号:
2329871 - 财政年份:2023
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
Collaborative Research: Machine Learning-assisted Ultrafast Physical Vapor Deposition of High Quality, Large-area Functional Thin Films
合作研究:机器学习辅助超快物理气相沉积高质量、大面积功能薄膜
- 批准号:
2226918 - 财政年份:2023
- 资助金额:
$ 17.5万 - 项目类别:
Standard Grant
Collaborative Research: DMREF: AI-enabled Automated design of ultrastrong and ultraelastic metallic alloys
合作研究:DMREF:基于人工智能的超强和超弹性金属合金的自动化设计
- 批准号:
2323766 - 财政年份:2023
- 资助金额:
$ 17.5万 - 项目类别:
Standard Grant
CAREER: Automated and Efficient Machine Learning as a Service
职业:自动化高效的机器学习即服务
- 批准号:
2305491 - 财政年份:2022
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
CAREER: Automated and Efficient Machine Learning as a Service
职业:自动化高效的机器学习即服务
- 批准号:
2305491 - 财政年份:2022
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
Collaborative Research: Design and Discovery of Entropy-Stabilized Perovskite Halide Materials for Optoelectronics
合作研究:用于光电子学的熵稳定钙钛矿卤化物材料的设计和发现
- 批准号:
2127640 - 财政年份:2021
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
CAREER: Automated and Efficient Machine Learning as a Service
职业:自动化高效的机器学习即服务
- 批准号:
2048044 - 财政年份:2021
- 资助金额:
$ 17.5万 - 项目类别:
Continuing Grant
I-Corps: Printable Carbon-based Perovskite Thin Film Solar Cells
I-Corps:可印刷碳基钙钛矿薄膜太阳能电池
- 批准号:
2039883 - 财政年份:2020
- 资助金额:
$ 17.5万 - 项目类别:
Standard Grant
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